Crystallography Open Database

Information card for entry 7701848

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Coordinates	7701848.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cis-bis(N,N-diethyl-N?-1-naphthoylthioureato-S,O)palladium(II)
Formula	C32 H34 N4 O2 Pd S2
Calculated formula	C32 H34 N4 O2 Pd S2
Title of publication	Reversible Photo-isomerization of cis-[Pd(L-κS,O)2] (HL = N N-diethyl-N’-1-naphthoylthiourea) to trans-[Pd(L-κS,O)2] and the Unprecedented Formation of trans-[Pd(L-κS,N)2] in Solution.
Authors of publication	Nkabyo, Henry A.; Procacci, Barbara; Duckett, Simon B.; Koch, Klaus R.
Journal of publication	Dalton Transactions
Year of publication	2019
a	43.067 ± 0.008 Å
b	9.3233 ± 0.0018 Å
c	15.204 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6105 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Ambient diffracton pressure	101.3 kPa
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.1044
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225381 (current)	2019-11-08	cif/ Adding structures of 7701848, 7701849, 7701850 via cif-deposit CGI script.	7701848.cif